Basic information
- CAS
51887-25-3- Standard SMILES
CCCCCCCCCCC#CCO- InChIKey
JOJRPLDFBJRAJH-UHFFFAOYSA-N- Molecular formula
- C13H24O
- Average molar mass
- 196.33 g/mol
- Monoisotopic mass
- 196.18271539
Names & identifiers
- Preferred name
- 2-Tridecyn-1-ol
- IUPAC
- tridec-2-yn-1-ol
- English name
- 2-TRIDECYN-1-OL
- Molecular formula
- C13H24O
- Molecular weight
- 196.33
Names & synonyms
2-TRIDECYN-1-OL51887-25-3DTXSID10455789RefChem:267401DTXCID40406608Tridec-2-yn-1-olMFCD00041679SCHEMBL1550995TIMTEC-BB SBB009040JOJRPLDFBJRAJH-UHFFFAOYSA-N2-TRIDECYN-1-OL 98%AS-93738
Show more names
SY319124F867602-TRIDECYN-1-OL, 97%2-TRIDECYN-1-OL, 97%2-TRIDECYN-1-OL, 97%
Database identifiers
- CAS
51887-25-3- PubChem CID
- 11116979
- DTXSID
DTXSID10455789- Nikkaji
- J308.197D
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Melting point
- 34 · 34-35°C
- Boiling point
- 303.24 °C · 303.24°C (rough estimate)
- Density
- 0.7912 · 0.7912 (estimate)
- refractive index
- 1.4575 · 1.4575 (estimate)
- pka
- 12.99 · 12.99±0.10(Predicted)
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
Safety & regulation
Safety data
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers5 total
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
广州市禄涞医药科技有限公司13660253774 · [email protected]
Related reactions
6 records
Compound notes
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